From mailer@bialko.llnl.gov Wed Aug 7 14:12:28 2002 Date: Wed, 7 Aug 2002 14:12:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 13:44:55 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_569753_19624 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0166SS389_1 Current information on models submitted in prediction T0166SS389 MODEL_INDEX PIN CODE DATE E-mail T0166SS389_1 PIN_569753_19624 1549-8716-6404 08/07/02 13:44:55 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0166 MODEL_INDEX PIN CODE DATE E-mail T0166SS389_1 PIN_569753_19624 1549-8716-6404 08/07/02 13:44:55 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0166 AUTHOR 1549-8716-6404 # Reading MODEL 1 # Reading prediction format SS (DONE) # Checking the SS prediction MODEL 1 # Checking the SS prediction MODEL 1 (DONE) # MODEL index: 1 # Total number of residues in model: 150 # Number of residues with nonzero confidence: 150 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0166 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0166.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0166.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0166.t2k.str.rdb (weight 1.53983) METHOD These files were combined by translating their predictions into EHL METHOD predictions with tables generated by compare-real, and then combining METHOD those predictions with weights proportional to their mutual information METHOD with the EHL alphabet. The comments from the individual files follow. METHOD METHOD Comments from T0166.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0166 METHOD Using neural net t2k-5740-IDaaHr-5-15-7-15-9-15-13-ebghstl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 7 (1 EBGHSTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0166.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 341 METHOD METHOD ============================================ METHOD Comments from T0166.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0166 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-ebghtl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 6 (1 EBGHTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0166.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 341 METHOD METHOD ============================================ METHOD Comments from T0166.t2k.str.rdb METHOD ============================================ METHOD TARGET T0166 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-str-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 13 (1 str ) METHOD The input amino acid frequencies were determined from METHOD alignment T0166.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 341 METHOD METHOD ============================================ MODEL 1 V C 0.85 T H 0.53 D H 0.67 I H 0.92 L H 0.96 R H 0.97 E H 0.97 I H 0.97 G H 0.97 M H 0.97 I H 0.97 A H 0.97 R H 0.96 A H 0.96 L H 0.95 D H 0.93 S H 0.92 I H 0.91 S H 0.90 N H 0.89 I H 0.89 E H 0.89 F H 0.86 K H 0.79 E H 0.68 L C 0.66 S C 0.95 L C 0.96 T C 0.96 R H 0.86 G H 0.92 Q H 0.96 Y H 0.96 L H 0.95 Y H 0.95 L H 0.95 V H 0.96 R H 0.95 V H 0.92 C H 0.82 E H 0.62 N C 0.76 P C 0.91 G C 0.93 I C 0.87 I C 0.86 Q H 0.92 E H 0.95 K H 0.96 I H 0.97 A H 0.96 E H 0.95 L H 0.90 I H 0.61 K C 0.91 V C 0.93 D C 0.94 R H 0.74 T H 0.87 T H 0.91 A H 0.96 A H 0.97 R H 0.97 A H 0.97 I H 0.97 K H 0.97 R H 0.97 L H 0.97 E H 0.95 E H 0.85 Q C 0.69 G C 0.98 F C 0.85 I E 0.76 Y E 0.84 R E 0.83 Q E 0.67 E C 0.60 D C 0.89 A C 0.73 S C 0.76 N C 0.69 K C 0.81 K E 0.50 I E 0.81 K E 0.86 R E 0.91 I E 0.91 Y E 0.83 A E 0.53 T C 0.90 E H 0.81 K H 0.89 G H 0.94 K H 0.96 N H 0.96 V H 0.96 Y H 0.95 P H 0.94 I H 0.93 I H 0.91 V H 0.91 R H 0.92 E H 0.93 N H 0.94 Q H 0.96 H H 0.96 S H 0.96 N H 0.96 Q H 0.96 V H 0.95 A H 0.92 L H 0.87 Q H 0.58 G C 0.68 L C 0.90 S C 0.96 E H 0.93 V H 0.95 E H 0.97 I H 0.97 S H 0.97 Q H 0.97 L H 0.97 A H 0.98 D H 0.97 Y H 0.97 L H 0.98 V H 0.97 R H 0.97 M H 0.97 R H 0.95 K H 0.84 N H 0.64 V C 0.50 S C 0.53 E C 0.59 D C 0.52 W H 0.58 E H 0.60 F H 0.58 V H 0.50 K C 0.50 K C 0.78 G C 0.91 N C 0.88 T C 0.77 R C 0.77 N C 0.85 Y C 0.98 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 08:40:29 2002 Date: Tue, 13 Aug 2002 08:40:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0166 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Aug 13 08:12:42 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_252044_21649 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0166TS189_2 Current information on models submitted in prediction T0166TS189 MODEL_INDEX PIN CODE DATE E-mail T0166TS189_2 PIN_252044_21649 5035-2079-5263 08/13/02 08:12:42 casp5@bialko.llnl.gov T0166TS189_1 PIN_204878_21633 5035-2079-5263 08/13/02 08:07:41 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0166 MODEL_INDEX PIN CODE DATE E-mail T0166TS189_1 PIN_204878_21633 5035-2079-5263 08/13/02 08:07:41 casp5@bialko.llnl.gov T0166TS189_2 PIN_252044_21649 5035-2079-5263 08/13/02 08:12:42 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0166 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1BI0 # Loading PARENT structure: 1bi0 (chain: ) # Number of residues in PARENT structure: 213 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue C 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue N 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue I 46 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue E 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue R 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue I 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue R 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue I 74 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue A 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue I 100 # IMPORTANT NOTE! Not complete main chain atoms for residue I 101 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue N 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue H 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue L 113 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 114 # IMPORTANT NOTE! Not complete main chain atoms for residue G 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue E 118 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0166 # Total number of residues in target: 150 # Total number of residues in model: 84 # Total number of atoms in model: 84 # Number of atoms with 1.0 occupancy: 84 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 84 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0166 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1BI0 ATOM 8 CA THR 29 13.555 16.565 10.674 1.00 1.00 ATOM 9 CA ARG 30 15.385 19.914 10.595 1.00 1.00 ATOM 10 CA GLY 31 12.022 21.595 11.165 1.00 1.00 ATOM 11 CA GLN 32 11.232 19.424 14.207 1.00 1.00 ATOM 12 CA TYR 33 14.699 19.988 15.608 1.00 1.00 ATOM 13 CA LEU 34 14.706 23.796 15.243 1.00 1.00 ATOM 14 CA TYR 35 11.226 23.824 16.794 1.00 1.00 ATOM 15 CA LEU 36 12.495 22.015 19.875 1.00 1.00 ATOM 16 CA VAL 37 15.432 24.433 20.005 1.00 1.00 ATOM 17 CA ARG 38 13.083 27.404 19.657 1.00 1.00 ATOM 18 CA VAL 39 10.747 26.341 22.525 1.00 1.00 ATOM 19 CA CYS 40 13.720 25.563 24.762 1.00 1.00 ATOM 20 CA GLU 41 14.945 29.078 24.037 1.00 1.00 ATOM 21 CA ASN 42 11.605 30.522 25.059 1.00 1.00 ATOM 22 CA PRO 43 11.923 28.527 28.261 1.00 1.00 ATOM 24 CA GLY 44 9.189 22.472 27.800 1.00 1.00 ATOM 25 CA ILE 45 9.424 20.764 24.425 1.00 1.00 ATOM 26 CA ILE 46 6.301 18.625 24.793 1.00 1.00 ATOM 27 CA GLN 47 4.937 16.870 21.691 1.00 1.00 ATOM 28 CA GLU 48 1.630 18.816 21.692 1.00 1.00 ATOM 29 CA LYS 49 3.309 22.247 21.896 1.00 1.00 ATOM 30 CA ILE 50 5.482 21.114 19.025 1.00 1.00 ATOM 31 CA ALA 51 2.411 19.972 17.078 1.00 1.00 ATOM 32 CA GLU 52 0.814 23.333 17.776 1.00 1.00 ATOM 33 CA LEU 53 3.969 25.290 16.751 1.00 1.00 ATOM 34 CA ILE 54 4.408 23.238 13.520 1.00 1.00 ATOM 35 CA LYS 55 0.653 23.051 12.903 1.00 1.00 ATOM 36 CA VAL 56 0.952 19.279 12.470 1.00 1.00 ATOM 37 CA ASP 57 -1.502 16.853 14.092 1.00 1.00 ATOM 38 CA ARG 58 -0.573 14.910 17.225 1.00 1.00 ATOM 39 CA THR 59 -0.488 11.636 15.197 1.00 1.00 ATOM 40 CA THR 60 1.967 13.131 12.642 1.00 1.00 ATOM 41 CA ALA 61 4.337 14.369 15.304 1.00 1.00 ATOM 42 CA ALA 62 4.384 10.959 17.093 1.00 1.00 ATOM 43 CA ARG 63 5.154 9.457 13.719 1.00 1.00 ATOM 44 CA ALA 64 8.006 11.870 13.049 1.00 1.00 ATOM 45 CA ILE 65 9.379 11.731 16.591 1.00 1.00 ATOM 46 CA LYS 66 9.390 7.899 16.511 1.00 1.00 ATOM 47 CA ARG 67 11.471 8.129 13.388 1.00 1.00 ATOM 48 CA LEU 68 13.940 10.718 14.805 1.00 1.00 ATOM 49 CA GLU 69 14.340 8.496 17.849 1.00 1.00 ATOM 50 CA GLU 70 15.503 5.664 15.624 1.00 1.00 ATOM 51 CA GLN 71 17.895 8.113 14.010 1.00 1.00 ATOM 52 CA GLY 72 19.239 8.877 17.493 1.00 1.00 ATOM 53 CA PHE 73 18.444 12.610 17.305 1.00 1.00 ATOM 54 CA ILE 74 15.946 12.863 20.131 1.00 1.00 ATOM 55 CA TYR 75 14.841 10.859 23.200 1.00 1.00 ATOM 56 CA ARG 76 11.367 11.144 24.736 1.00 1.00 ATOM 57 CA GLN 77 11.875 11.839 28.435 1.00 1.00 ATOM 58 CA GLU 78 10.180 10.434 31.547 1.00 1.00 ATOM 59 CA ASP 79 7.853 13.458 31.734 1.00 1.00 ATOM 60 CA ALA 80 7.238 12.898 27.998 1.00 1.00 ATOM 61 CA SER 81 9.171 16.006 26.903 1.00 1.00 ATOM 62 CA ILE 88 11.536 15.679 23.949 1.00 1.00 ATOM 63 CA TYR 89 15.263 15.906 24.603 1.00 1.00 ATOM 64 CA ALA 90 17.641 16.449 21.707 1.00 1.00 ATOM 65 CA THR 91 20.646 14.123 21.741 1.00 1.00 ATOM 66 CA GLU 92 24.072 15.736 21.205 1.00 1.00 ATOM 67 CA LYS 93 23.844 14.913 17.467 1.00 1.00 ATOM 68 CA GLY 94 20.310 16.299 17.207 1.00 1.00 ATOM 69 CA LYS 95 21.254 19.452 19.166 1.00 1.00 ATOM 70 CA ASN 96 24.168 20.119 16.867 1.00 1.00 ATOM 71 CA VAL 97 21.967 19.855 13.789 1.00 1.00 ATOM 72 CA TYR 98 19.245 21.965 15.400 1.00 1.00 ATOM 73 CA PRO 99 21.869 24.627 16.162 1.00 1.00 ATOM 74 CA ILE 100 23.185 24.594 12.637 1.00 1.00 ATOM 75 CA ILE 101 19.633 25.233 11.317 1.00 1.00 ATOM 76 CA VAL 102 18.985 28.157 13.756 1.00 1.00 ATOM 77 CA ARG 103 22.363 29.610 12.843 1.00 1.00 ATOM 78 CA GLU 104 21.479 29.511 9.095 1.00 1.00 ATOM 79 CA ASN 105 18.006 30.902 9.857 1.00 1.00 ATOM 80 CA GLN 106 19.423 33.906 11.692 1.00 1.00 ATOM 81 CA HIS 107 22.256 34.589 9.242 1.00 1.00 ATOM 82 CA SER 108 19.610 34.541 6.487 1.00 1.00 ATOM 83 CA ASN 109 17.543 37.112 8.462 1.00 1.00 ATOM 84 CA GLN 110 20.537 39.353 8.893 1.00 1.00 ATOM 85 CA VAL 111 21.104 38.984 5.137 1.00 1.00 ATOM 86 CA ALA 112 17.421 39.693 4.439 1.00 1.00 ATOM 87 CA LEU 113 17.149 42.896 6.452 1.00 1.00 ATOM 88 CA GLN 114 20.695 44.238 6.295 1.00 1.00 ATOM 89 CA GLY 115 21.451 43.758 2.609 1.00 1.00 ATOM 90 CA LEU 116 18.338 42.732 0.725 1.00 1.00 ATOM 91 CA SER 117 16.024 45.024 2.644 1.00 1.00 ATOM 92 CA GLU 118 13.019 42.702 2.594 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 08:43:31 2002 Date: Tue, 13 Aug 2002 08:43:26 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0166 TS samt02.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Aug 13 08:15:34 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_279445_21657 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0166TS189_3 Current information on models submitted in prediction T0166TS189 MODEL_INDEX PIN CODE DATE E-mail T0166TS189_3 PIN_279445_21657 5035-2079-5263 08/13/02 08:15:34 casp5@bialko.llnl.gov T0166TS189_2 PIN_252044_21649 5035-2079-5263 08/13/02 08:12:42 casp5@bialko.llnl.gov T0166TS189_1 PIN_204878_21633 5035-2079-5263 08/13/02 08:07:41 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0166 MODEL_INDEX PIN CODE DATE E-mail T0166TS189_1 PIN_204878_21633 5035-2079-5263 08/13/02 08:07:41 casp5@bialko.llnl.gov T0166TS189_2 PIN_252044_21649 5035-2079-5263 08/13/02 08:12:42 casp5@bialko.llnl.gov T0166TS189_3 PIN_279445_21657 5035-2079-5263 08/13/02 08:15:34 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0166 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1FZP_B # Loading PARENT structure: 1fzp (chain: B) # Number of residues in PARENT structure: 105 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 6 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue E 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue G 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue I 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue A 14 # IMPORTANT NOTE! Not complete main chain atoms for residue L 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue S 17 # IMPORTANT NOTE! Not complete main chain atoms for residue I 18 # IMPORTANT NOTE! Not complete main chain atoms for residue S 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue I 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue F 23 # IMPORTANT NOTE! Not complete main chain atoms for residue K 24 # IMPORTANT NOTE! Not complete main chain atoms for residue E 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue S 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue C 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue N 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue I 46 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue R 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue I 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue R 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0166 # Total number of residues in target: 150 # Total number of residues in model: 57 # Total number of atoms in model: 57 # Number of atoms with 1.0 occupancy: 57 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 57 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0166 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1FZP_B ATOM 10 CA ARG 6 15.257 22.707 3.449 1.00 1.00 ATOM 11 CA GLU 7 17.534 24.881 1.233 1.00 1.00 ATOM 12 CA ILE 8 19.992 25.775 4.012 1.00 1.00 ATOM 13 CA GLY 9 19.940 22.139 5.130 1.00 1.00 ATOM 14 CA MET 10 21.339 19.900 2.347 1.00 1.00 ATOM 15 CA ILE 11 23.549 22.781 1.187 1.00 1.00 ATOM 16 CA ALA 12 25.636 22.797 4.333 1.00 1.00 ATOM 17 CA ARG 13 25.621 18.953 4.430 1.00 1.00 ATOM 18 CA ALA 14 26.275 18.537 0.719 1.00 1.00 ATOM 19 CA LEU 15 29.009 21.138 1.303 1.00 1.00 ATOM 20 CA ASP 16 30.309 19.723 4.586 1.00 1.00 ATOM 21 CA SER 17 30.684 16.553 2.467 1.00 1.00 ATOM 22 CA ILE 18 33.068 17.499 -0.401 1.00 1.00 ATOM 23 CA SER 19 34.896 19.823 1.981 1.00 1.00 ATOM 24 CA ASN 20 36.160 16.841 3.953 1.00 1.00 ATOM 25 CA ILE 21 36.336 14.484 0.974 1.00 1.00 ATOM 26 CA GLU 22 38.954 16.735 -0.587 1.00 1.00 ATOM 27 CA PHE 23 40.450 17.218 2.874 1.00 1.00 ATOM 28 CA LYS 24 41.643 13.624 3.433 1.00 1.00 ATOM 29 CA GLU 25 42.371 12.829 -0.225 1.00 1.00 ATOM 30 CA LEU 26 44.652 15.891 -0.420 1.00 1.00 ATOM 31 CA SER 27 45.282 19.349 1.065 1.00 1.00 ATOM 32 CA LEU 28 43.271 20.836 3.932 1.00 1.00 ATOM 33 CA THR 29 43.319 24.570 3.339 1.00 1.00 ATOM 34 CA ARG 30 39.799 23.919 2.076 1.00 1.00 ATOM 35 CA GLY 31 38.242 23.475 5.519 1.00 1.00 ATOM 36 CA GLN 32 40.210 26.663 6.202 1.00 1.00 ATOM 37 CA TYR 33 39.758 28.722 3.047 1.00 1.00 ATOM 38 CA LEU 34 35.997 28.112 3.147 1.00 1.00 ATOM 39 CA TYR 35 35.690 29.628 6.609 1.00 1.00 ATOM 40 CA LEU 36 38.593 31.995 5.857 1.00 1.00 ATOM 41 CA VAL 37 36.105 34.464 4.341 1.00 1.00 ATOM 42 CA ARG 38 35.148 35.135 7.980 1.00 1.00 ATOM 43 CA VAL 39 38.312 34.570 10.031 1.00 1.00 ATOM 44 CA CYS 40 41.929 35.703 9.695 1.00 1.00 ATOM 45 CA GLU 41 43.907 33.293 11.637 1.00 1.00 ATOM 46 CA ASN 42 43.244 30.093 9.670 1.00 1.00 ATOM 47 CA PRO 43 45.533 31.975 7.373 1.00 1.00 ATOM 50 CA GLY 44 47.664 28.575 5.816 1.00 1.00 ATOM 51 CA ILE 45 50.565 30.406 4.240 1.00 1.00 ATOM 52 CA ILE 46 53.038 28.659 6.551 1.00 1.00 ATOM 53 CA GLN 47 52.082 25.523 4.651 1.00 1.00 ATOM 54 CA GLU 48 51.083 26.783 1.182 1.00 1.00 ATOM 55 CA LYS 49 54.782 27.381 0.626 1.00 1.00 ATOM 56 CA ILE 50 56.821 25.287 3.051 1.00 1.00 ATOM 67 CA ALA 61 53.937 31.575 -13.375 1.00 1.00 ATOM 68 CA ALA 62 55.707 28.570 -11.805 1.00 1.00 ATOM 69 CA ARG 63 53.507 28.145 -8.709 1.00 1.00 ATOM 70 CA ALA 64 50.688 29.261 -10.984 1.00 1.00 ATOM 71 CA ILE 65 50.441 26.291 -13.312 1.00 1.00 ATOM 72 CA LYS 66 51.534 24.195 -10.322 1.00 1.00 ATOM 73 CA ARG 67 48.525 25.356 -8.353 1.00 1.00 ATOM 74 CA LEU 68 46.256 25.371 -11.399 1.00 1.00 ATOM 75 CA GLU 69 46.916 21.726 -12.292 1.00 1.00 ATOM 76 CA GLU 70 46.000 20.503 -8.809 1.00 1.00 ATOM 77 CA GLN 71 43.020 22.842 -8.713 1.00 1.00 ATOM 78 CA GLY 72 42.114 20.701 -11.706 1.00 1.00 TER END ################################ # # # END # # # ################################